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Information card for entry 7251239
Preview
| Coordinates | 7251239.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H15 K9 N20 O38 |
|---|---|
| Calculated formula | C20 H9 K9 N20 O35 |
| Title of publication | Synthesis of Energetic Materials Derived from Hydroxynitropyrazine |
| Authors of publication | Jiang, Xiue; Xu, Zeyu; Fan, Mingren; Wang, Ruihui; Wang, Yi; Zhang, Qinghua |
| Journal of publication | CrystEngComm |
| Year of publication | 2025 |
| a | 8.3085 ± 0.0003 Å |
| b | 16.2606 ± 0.0005 Å |
| c | 18.1267 ± 0.0007 Å |
| α | 73.099 ± 0.001° |
| β | 88.41 ± 0.001° |
| γ | 86.483 ± 0.001° |
| Cell volume | 2338.63 ± 0.14 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0698 |
| Residual factor for significantly intense reflections | 0.0558 |
| Weighted residual factors for significantly intense reflections | 0.1338 |
| Weighted residual factors for all reflections included in the refinement | 0.1453 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 303228 (current) | 2025-11-08 | cif/ Adding structures of 7251237, 7251238, 7251239 via cif-deposit CGI script. |
7251239.cif |
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Users of the data should acknowledge the original authors of the
structural data.